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(Z)-3-Bromo-4-(4-chloro-benzylsulfanyl)-1,1,1-trifluoro-but-3-en-2-one
SpectraBase Compound ID JU2sUTxMWsn
InChI InChI=1S/C11H7BrClF3OS/c12-9(10(17)11(14,15)16)6-18-5-7-1-3-8(13)4-2-7/h1-4,6H,5H2/b9-6-
InChIKey KYSWHHPTOMBFPL-TWGQIWQCSA-N
Mol Weight 359.59 g/mol
Molecular Formula C11H7BrClF3OS
Exact Mass 357.904161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HP1sKZcolHb
Name (Z)-3-Bromo-4-(4-chloro-benzylsulfanyl)-1,1,1-trifluoro-but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7BrClF3OS
InChI InChI=1S/C11H7BrClF3OS/c12-9(10(17)11(14,15)16)6-18-5-7-1-3-8(13)4-2-7/h1-4,6H,5H2/b9-6-
InChIKey KYSWHHPTOMBFPL-TWGQIWQCSA-N
Literature Reference DOI 10.1002/cjoc.201090275
Molecular Weight 359.588 g/mol
SMILES C(S\C=C\(Br)C(=O)C(F)(F)F)c1ccc(cc1)Cl
SPLASH splash10-00di-0901000000-908797282f8fbb99c73d
Source of Spectrum CJC-28-1628-11b
Synonyms (Z)-3-bromo-4-((4-chlorobenzyl)thio)-1,1,1-trifluorobut-3-en-2-one
Wiley ID 1772433